Tolaasin D
AlkaPlorer ID: AK032047
Synonym: '(-)-Tolaasin D', 'Tolaasin I'
IUPAC Name: None
Structure
SMILES: C/C=C(\N=C(O)C[C@@H](O)CCCCC)C(=O)N1CCC[C@@H]1C(O)=N[C@H](CO)C(O)=N[C@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](CO)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@@H](C(O)=N[C@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(O)=N/C(=C\C)C(O)=N[C@@H]1C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@H](CCO)C(O)=N[C@@H](CCN)C(O)=N[C@H](CCCCN)C(=O)O[C@@H]1C)C(C)C)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C94H163N21O25/c1-21-25-26-30-56(119)44-70(121)98-58(24-4)93(138)115-39-29-32-68(115)86(131)107-66(45-117)84(129)105-64(42-48(7)8)82(127)110-72(51(13)14)89(134)108-67(46-118)85(130)106-65(43-49(9)10)83(128)111-74(53(17)18)90(135)112-73(52(15)16)88(133)101-59(33-34-69(97)120)78(123)104-63(41-47(5)6)81(126)109-71(50(11)12)87(132)99-57(23-3)77(122)114-76-55(20)140-94(139)62(31-27-28-37-95)103-79(124)60(35-38-96)100-80(125)61(36-40-116)102-91(136)75(54(19)22-2)113-92(76)137/h23-24,47-56,59-68,71-76,116-119H,21-22,25-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,132)(H,100,125)(H,101,133)(H,102,136)(H,103,124)(H,104,123)(H,105,129)(H,106,130)(H,107,131)(H,108,134)(H,109,126)(H,110,127)(H,111,128)(H,112,135)(H,113,137)(H,114,122)/b57-23-,58-24-/t54-,55+,56-,59+,60-,61+,62+,63-,64+,65+,66+,67-,68+,71+,72-,73+,74+,75-,76-/m0/s1
InChIKey: PQXDAQPDGVWOTE-CHYCWVRXSA-N
Reference
Tolaasins A−E, Five New Lipodepsipeptides Produced by <i>Pseudomonas tolaasii</i>
PubChem CID: 162928045
LOTUS: LTS0223672
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas tolaasii | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1987.46
TPSA?: 777.6800000000004
MolLogP?: 11.819769999999988
Number of H-Donors: 25
Number of H-Acceptors: 27
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
